## Number of spectrums in file : 5191
## List of diagnostic ions : 204.0866 186.076 168.0655 144.0655 138.0549 126.0549
## Tolerance: 100 ppm
0 : absent 1 : present
## Too much diagnostic ions found to create a heatmap
## Number of spectrum with all diagnostic ions : 77
##
##
## Ref: File5131 Spectrum1 scans: 2342
## Precursor ion MZ value : 509.7386
## Diagnostic ion(s) - M/Z : 186.0769 168.0555 168.066
## Diagnostic ion(s) - Intensity : 29.7717 34.3023 46.263
## Ref: File5131 Spectrum10 scans: 2652
## Precursor ion MZ value : 565.8073
## Diagnostic ion(s) - M/Z : 186.0765 168.0556 168.059 168.0661
## Diagnostic ion(s) - Intensity : 23.0259 55.4538 27.5014 40.064
## Ref: File5131 Spectrum100 scans: 2785
## Precursor ion MZ value : 364.1683
## Diagnostic ion(s) - M/Z : 138.0663
## Diagnostic ion(s) - Intensity : 348618
## Ref: File5131 Spectrum1000 scans: 3867
## Precursor ion MZ value : 347.667
## Diagnostic ion(s) - M/Z : 168.077 138.0663 126.055
## Diagnostic ion(s) - Intensity : 138.646 46.2286 188.731
## Ref: File5131 Spectrum1001 scans: 3869
## Precursor ion MZ value : 325.6842
## Diagnostic ion(s) - M/Z : 168.0773 126.0551
## Diagnostic ion(s) - Intensity : 176228 7211280
## Ref: File5131 Spectrum1002 scans: 3870
## Precursor ion MZ value : 316.6797
## Diagnostic ion(s) - M/Z : 168.0772 126.055
## Diagnostic ion(s) - Intensity : 177956 39263.3
## Ref: File5131 Spectrum1004 scans: 3872
## Precursor ion MZ value : 537.2354
## Diagnostic ion(s) - M/Z : 168.0551 138.0661
## Diagnostic ion(s) - Intensity : 3940.67 4708.56
## Ref: File5131 Spectrum1005 scans: 3873
## Precursor ion MZ value : 652.7799
## Diagnostic ion(s) - M/Z : 186.0875 168.0768 126.0548
## Diagnostic ion(s) - Intensity : 3623.17 3051.61 8789.2
## Ref: File5131 Spectrum1006 scans: 3874
## Precursor ion MZ value : 481.2529
## Diagnostic ion(s) - M/Z : 138.0549 138.0663 126.0549
## Diagnostic ion(s) - Intensity : 1004.6 427.713 4501.07
## Ref: File5131 Spectrum1007 scans: 3875
## Precursor ion MZ value : 406.1342
## Diagnostic ion(s) - M/Z : 138.066
## Diagnostic ion(s) - Intensity : 621.211
## Ref: File5131 Spectrum1008 scans: 3876
## Precursor ion MZ value : 544.7593
## Diagnostic ion(s) - M/Z : 204.0769 168.0766 138.0661 126.0661
## Diagnostic ion(s) - Intensity : 367.565 208.282 632.238 305.645
## Ref: File5131 Spectrum1010 scans: 3878
## Precursor ion MZ value : 568.7521
## Diagnostic ion(s) - M/Z : 168.0765 126.0545
## Diagnostic ion(s) - Intensity : 134.93 62.4676
## Ref: File5131 Spectrum1011 scans: 3880
## Precursor ion MZ value : 423.228
## Diagnostic ion(s) - M/Z : 168.0656 144.0652 138.0549 126.0547
## Diagnostic ion(s) - Intensity : 201.041 174.36 788.766 149.067
## Ref: File5131 Spectrum1012 scans: 3881
## Precursor ion MZ value : 514.28
## Diagnostic ion(s) - M/Z : 186.0744
## Diagnostic ion(s) - Intensity : 372.516
## Ref: File5131 Spectrum1013 scans: 3882
## Precursor ion MZ value : 308.1663
## Diagnostic ion(s) - M/Z : 168.0769 138.0548 138.0662 126.0549 126.066
## Diagnostic ion(s) - Intensity : 2080.96 179.986 408.62 933.965 133.895
## Ref: File5131 Spectrum1014 scans: 3883
## Precursor ion MZ value : 337.6637
## Diagnostic ion(s) - M/Z : 168.0769 138.0662
## Diagnostic ion(s) - Intensity : 554.67 115.757
## Ref: File5131 Spectrum1015 scans: 3884
## Precursor ion MZ value : 399.711
## Diagnostic ion(s) - M/Z : 186.087 168.077 138.0663
## Diagnostic ion(s) - Intensity : 64.896 281.105 71.8102
## Ref: File5131 Spectrum1016 scans: 3885
## Precursor ion MZ value : 539.7562
## Diagnostic ion(s) - M/Z : 138.066
## Diagnostic ion(s) - Intensity : 361.886
## Ref: File5131 Spectrum1017 scans: 3887
## Precursor ion MZ value : 724.3005
## Diagnostic ion(s) - M/Z : 138.0548 126.0549
## Diagnostic ion(s) - Intensity : 266.767 919.61
## Ref: File5131 Spectrum1018 scans: 3888
## Precursor ion MZ value : 677.2877
## Diagnostic ion(s) - M/Z : 126.0549
## Diagnostic ion(s) - Intensity : 116.032
## Ref: File5131 Spectrum1019 scans: 3889
## Precursor ion MZ value : 383.6982
## Diagnostic ion(s) - M/Z : 168.0768 138.0665 126.0551
## Diagnostic ion(s) - Intensity : 134.792 113.845 99.973
## Ref: File5131 Spectrum102 scans: 2787
## Precursor ion MZ value : 814.3645
## Diagnostic ion(s) - M/Z : 138.066
## Diagnostic ion(s) - Intensity : 838.232
## Ref: File5131 Spectrum1020 scans: 3890
## Precursor ion MZ value : 467.7315
## Diagnostic ion(s) - M/Z : 138.0661
## Diagnostic ion(s) - Intensity : 175.007
## Ref: File5131 Spectrum1021 scans: 3891
## Precursor ion MZ value : 492.9909
## Diagnostic ion(s) - M/Z : 138.0663
## Diagnostic ion(s) - Intensity : 324.479
## Ref: File5131 Spectrum1022 scans: 3892
## Precursor ion MZ value : 368.1855
## Diagnostic ion(s) - M/Z : 138.066
## Diagnostic ion(s) - Intensity : 107.96
## Ref: File5131 Spectrum1023 scans: 3894
## Precursor ion MZ value : 364.1689
## Diagnostic ion(s) - M/Z : 204.0771 186.0917 138.0662
## Diagnostic ion(s) - Intensity : 485.098 340.439 370.016
## Ref: File5131 Spectrum1025 scans: 3896
## Precursor ion MZ value : 551.7487
## Diagnostic ion(s) - M/Z : 168.0554 138.0662
## Diagnostic ion(s) - Intensity : 139.191 302.519
## Ref: File5131 Spectrum1026 scans: 3898
## Precursor ion MZ value : 545.7486
## Diagnostic ion(s) - M/Z : 204.077 204.1056 138.0662 126.0663
## Diagnostic ion(s) - Intensity : 368.739 94.7741 945.858 184.3
## Ref: File5131 Spectrum1027 scans: 3899
## Precursor ion MZ value : 623.3057
## Diagnostic ion(s) - M/Z : 138.0551 126.0548
## Diagnostic ion(s) - Intensity : 131.983 112.21
## Ref: File5131 Spectrum1028 scans: 3900
## Precursor ion MZ value : 308.1664
## Diagnostic ion(s) - M/Z : 168.0769 144.0653 138.055 138.0661 126.0549 126.0661
## Diagnostic ion(s) - Intensity : 1951.45 140.597 128.554 251.188 1113.65 129.16
## Ref: File5131 Spectrum1029 scans: 3901
## Precursor ion MZ value : 514.2796
## Diagnostic ion(s) - M/Z : 186.0682 186.0746 138.0662 126.0551
## Diagnostic ion(s) - Intensity : 99.0237 2396.83 127.783 107.063
## Ref: File5131 Spectrum1030 scans: 3902
## Precursor ion MZ value : 337.6633
## Diagnostic ion(s) - M/Z : 168.0769 138.0661
## Diagnostic ion(s) - Intensity : 546.26 209.457
## Ref: File5131 Spectrum1031 scans: 3903
## Precursor ion MZ value : 387.7216
## Diagnostic ion(s) - M/Z : 186.0918
## Diagnostic ion(s) - Intensity : 93.5267
## Ref: File5131 Spectrum1032 scans: 3904
## Precursor ion MZ value : 399.7107
## Diagnostic ion(s) - M/Z : 186.0745 168.077 138.0662
## Diagnostic ion(s) - Intensity : 61.0078 246.829 76.3132
## Ref: File5131 Spectrum1033 scans: 3905
## Precursor ion MZ value : 629.2884
## Diagnostic ion(s) - M/Z : 168.0661 138.0549 126.055
## Diagnostic ion(s) - Intensity : 49.1699 83.085 410.338
## Ref: File5131 Spectrum1034 scans: 3906
## Precursor ion MZ value : 568.7509
## Diagnostic ion(s) - M/Z : 168.077 126.0548
## Diagnostic ion(s) - Intensity : 172.766 41.8667
## Ref: File5131 Spectrum1035 scans: 3908
## Precursor ion MZ value : 344.6581
## Diagnostic ion(s) - M/Z : 168.0769 138.0661
## Diagnostic ion(s) - Intensity : 881.636 738.048
## Ref: File5131 Spectrum1036 scans: 3909
## Precursor ion MZ value : 512.2483
## Diagnostic ion(s) - M/Z : 186.0745 126.0549
## Diagnostic ion(s) - Intensity : 1673.67 229.298
## Ref: File5131 Spectrum1037 scans: 3910
## Precursor ion MZ value : 358.1822
## Diagnostic ion(s) - M/Z : 186.0745 138.0661
## Diagnostic ion(s) - Intensity : 362.421 364.414
## Ref: File5131 Spectrum1039 scans: 3912
## Precursor ion MZ value : 660.7774
## Diagnostic ion(s) - M/Z : 126.0549
## Diagnostic ion(s) - Intensity : 640.367
## Ref: File5131 Spectrum104 scans: 2789
## Precursor ion MZ value : 528.231
## Diagnostic ion(s) - M/Z : 138.066
## Diagnostic ion(s) - Intensity : 877.545
## Ref: File5131 Spectrum1040 scans: 3913
## Precursor ion MZ value : 681.2907
## Diagnostic ion(s) - M/Z : 138.0551 126.055
## Diagnostic ion(s) - Intensity : 126.78 362.655
## Ref: File5131 Spectrum1041 scans: 3914
## Precursor ion MZ value : 636.65
## Diagnostic ion(s) - M/Z : 204.1064 138.0549 126.0548
## Diagnostic ion(s) - Intensity : 210.527 103.655 122.985
## Ref: File5131 Spectrum1042 scans: 3916
## Precursor ion MZ value : 384.11
## Diagnostic ion(s) - M/Z : 186.0747 186.0916 168.0768 138.0661
## Diagnostic ion(s) - Intensity : 560.669 2271.81 704.301 2153.02
## Ref: File5131 Spectrum1043 scans: 3917
## Precursor ion MZ value : 591.8215
## Diagnostic ion(s) - M/Z : 168.0658 138.0662
## Diagnostic ion(s) - Intensity : 460.4 368.489
## Ref: File5131 Spectrum1045 scans: 3919
## Precursor ion MZ value : 551.7958
## Diagnostic ion(s) - M/Z : 168.0551 138.0662 126.0663
## Diagnostic ion(s) - Intensity : 122.086 221.947 57.6121
## Ref: File5131 Spectrum1046 scans: 3920
## Precursor ion MZ value : 645.2833
## Diagnostic ion(s) - M/Z : 186.0876 138.055 126.055
## Diagnostic ion(s) - Intensity : 859.57 167.618 61.185
## Ref: File5131 Spectrum1047 scans: 3921
## Precursor ion MZ value : 677.2887
## Diagnostic ion(s) - M/Z : 126.0551
## Diagnostic ion(s) - Intensity : 44.1235
## Ref: File5131 Spectrum1048 scans: 3922
## Precursor ion MZ value : 561.8112
## Diagnostic ion(s) - M/Z : 144.0768 138.0662
## Diagnostic ion(s) - Intensity : 52.751 48.9435
## Ref: File5131 Spectrum1049 scans: 3924
## Precursor ion MZ value : 483.2504
## Diagnostic ion(s) - M/Z : 204.0981 186.0874 138.0548 126.0548
## Diagnostic ion(s) - Intensity : 1871.39 1117.69 396.856 2238.24
## Ref: File5131 Spectrum105 scans: 2790
## Precursor ion MZ value : 557.728
## Diagnostic ion(s) - M/Z : 168.0744 138.0661
## Diagnostic ion(s) - Intensity : 309.325 708.938
## Ref: File5131 Spectrum1050 scans: 3925
## Precursor ion MZ value : 408.8706
## Diagnostic ion(s) - M/Z : 126.0548
## Diagnostic ion(s) - Intensity : 887.928
## Ref: File5131 Spectrum1052 scans: 3927
## Precursor ion MZ value : 477.7389
## Diagnostic ion(s) - M/Z : 186.0742
## Diagnostic ion(s) - Intensity : 295.65
## Ref: File5131 Spectrum1054 scans: 3929
## Precursor ion MZ value : 516.238
## Diagnostic ion(s) - M/Z : 138.0662
## Diagnostic ion(s) - Intensity : 777.619
## Ref: File5131 Spectrum1055 scans: 3930
## Precursor ion MZ value : 337.6633
## Diagnostic ion(s) - M/Z : 186.0872 168.077 138.0662
## Diagnostic ion(s) - Intensity : 81.2374 457.926 197.154
## Ref: File5131 Spectrum1056 scans: 3931
## Precursor ion MZ value : 308.1668
## Diagnostic ion(s) - M/Z : 168.077 138.055 138.0662 126.0549 126.0663
## Diagnostic ion(s) - Intensity : 1301.07 99.9585 374.079 689.817 64.981
## Ref: File5131 Spectrum1057 scans: 3932
## Precursor ion MZ value : 539.7563
## Diagnostic ion(s) - M/Z : 168.0552 138.0661
## Diagnostic ion(s) - Intensity : 194.93 350.759
## Ref: File5131 Spectrum1058 scans: 3933
## Precursor ion MZ value : 394.5475
## Diagnostic ion(s) - M/Z : 138.0663
## Diagnostic ion(s) - Intensity : 146.885
## Ref: File5131 Spectrum1059 scans: 3935
## Precursor ion MZ value : 354.1956
## Diagnostic ion(s) - M/Z : 168.0768 126.0548
## Diagnostic ion(s) - Intensity : 629.638 22321.1
## Ref: File5131 Spectrum1060 scans: 3936
## Precursor ion MZ value : 350.7214
## Diagnostic ion(s) - M/Z : 144.0767
## Diagnostic ion(s) - Intensity : 4024.74
## Ref: File5131 Spectrum1061 scans: 3937
## Precursor ion MZ value : 511.7581
## Diagnostic ion(s) - M/Z : 144.0655 138.066 126.0549
## Diagnostic ion(s) - Intensity : 691.958 209.751 714.565
## Ref: File5131 Spectrum1062 scans: 3938
## Precursor ion MZ value : 368.1807
## Diagnostic ion(s) - M/Z : 204.0774 186.0915 138.0661
## Diagnostic ion(s) - Intensity : 311.632 849.796 689.217
## Ref: File5131 Spectrum1063 scans: 3939
## Precursor ion MZ value : 668.7753
## Diagnostic ion(s) - M/Z : 126.0549
## Diagnostic ion(s) - Intensity : 480.527
## Ref: File5131 Spectrum1064 scans: 3940
## Precursor ion MZ value : 612.802
## Diagnostic ion(s) - M/Z : 168.0551 168.0587 168.0659 126.0549
## Diagnostic ion(s) - Intensity : 859.905 280.714 174.191 758.072
## Ref: File5131 Spectrum1065 scans: 3941
## Precursor ion MZ value : 570.817
## Diagnostic ion(s) - M/Z : 186.0763 168.0657 138.0663
## Diagnostic ion(s) - Intensity : 90.9868 94.4125 85.9283
## Ref: File5131 Spectrum1066 scans: 3942
## Precursor ion MZ value : 309.1746
## Diagnostic ion(s) - M/Z : 168.077 138.055 138.0663 126.055
## Diagnostic ion(s) - Intensity : 893.574 117.514 469.489 548.025
## Ref: File5131 Spectrum1067 scans: 3943
## Precursor ion MZ value : 347.6666
## Diagnostic ion(s) - M/Z : 204.1062 168.077 138.0663 126.0549
## Diagnostic ion(s) - Intensity : 102.826 189.243 196.004 119.865
## Ref: File5131 Spectrum1068 scans: 3944
## Precursor ion MZ value : 565.7463
## Diagnostic ion(s) - M/Z : 204.077 204.1068 168.077 138.0662
## Diagnostic ion(s) - Intensity : 75.4177 44.8635 1237.28 310.477
## Ref: File5131 Spectrum1069 scans: 3946
## Precursor ion MZ value : 608.6976
## Diagnostic ion(s) - M/Z : 138.0661
## Diagnostic ion(s) - Intensity : 1602.91
## Ref: File5131 Spectrum107 scans: 2792
## Precursor ion MZ value : 581.8076
## Diagnostic ion(s) - M/Z : 138.055 138.066
## Diagnostic ion(s) - Intensity : 371.556 85.3421
## Ref: File5131 Spectrum1070 scans: 3947
## Precursor ion MZ value : 363.5091
## Diagnostic ion(s) - M/Z : 186.0915 138.0663
## Diagnostic ion(s) - Intensity : 362.895 490.581
## Ref: File5131 Spectrum1071 scans: 3948
## Precursor ion MZ value : 414.2114
## Diagnostic ion(s) - M/Z : 204.0772 138.0548 138.0662
## Diagnostic ion(s) - Intensity : 1635.98 85.6819 250.412
## Ref: File5131 Spectrum1072 scans: 3949
## Precursor ion MZ value : 561.8112
## Diagnostic ion(s) - M/Z : 138.0549 138.0662 126.0663
## Diagnostic ion(s) - Intensity : 53.5443 77.8917 51.9279
## Ref: File5131 Spectrum1073 scans: 3950
## Precursor ion MZ value : 557.767
## Diagnostic ion(s) - M/Z : 204.077 138.0662 126.0551
## Diagnostic ion(s) - Intensity : 48.5205 141.971 72.5034
## Ref: File5131 Spectrum1074 scans: 3952
## Precursor ion MZ value : 535.7541
## Diagnostic ion(s) - M/Z : 204.0775 138.066
## Diagnostic ion(s) - Intensity : 1619.5 2952.51
## Ref: File5131 Spectrum1075 scans: 3953
## Precursor ion MZ value : 344.6582
## Diagnostic ion(s) - M/Z : 168.0768 138.0662
## Diagnostic ion(s) - Intensity : 1204.25 1126.72
## Ref: File5131 Spectrum1076 scans: 3954
## Precursor ion MZ value : 384.7723
## Diagnostic ion(s) - M/Z : 186.0744 186.0916 138.0662
## Diagnostic ion(s) - Intensity : 972.582 596.087 511.253